5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide

C20H23N5O4S — CID 56539236

IUPAC5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide
SMILESCCn1c(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C20H23N5O4S/c1-4-25-18-8-6-5-7-17(18)23-19(25)12-21-20(27)15-11-14(22-13(2)26)9-10-16(15)24-30(3,28)29/h5-11,24H,4,12H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyXOXDOYDYGZNLMU-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.32
Rot. Bonds7

About 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide

5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide (PubChem CID 56539236) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide
PubChem CID56539236
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide
SMILESCCn1c(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C20H23N5O4S/c1-4-25-18-8-6-5-7-17(18)23-19(25)12-21-20(27)15-11-14(22-13(2)26)9-10-16(15)24-30(3,28)29/h5-11,24H,4,12H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyXOXDOYDYGZNLMU-UHFFFAOYSA-N
XLogP2.32
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 56516205
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 55389787
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532369
5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 56539881
2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029427
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118761675
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-nitrobenzamide
CID 18116687
6-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 119220222

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide (CID 56539236) is 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide is CCn1c(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)nc2ccccc21.
What is the InChIKey of 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide?
The InChIKey is XOXDOYDYGZNLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-4-25-18-8-6-5-7-17(18)23-19(25)12-21-20(27)15-11-14(22-13(2)26)9-10-16(15)24-30(3,28)29/h5-11,24H,4,12H2,1-3H3,(H,21,27)(H,22,26).
What are the key properties of 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide?
5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide has a molecular weight of 429.50 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 56539236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).